UCSF

ZINC16448249

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 28th, 2008 32 Yes

Popular Name: (4S)-4-(2-fluorophenyl)-3-(2-hydroxy-4,5-dimethyl-phenyl)-5-(3-pyridylmethyl)-1,4-dihydropyrrolo[4,3 (4S)-4-(2-fluorophenyl)-3-(2-hyd…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.82 9.2 -11.78 2 6 0 82 428.467 4 ↓
Hi High (pH 8-9.5) 3.82 9.77 -53.57 1 6 -1 85 427.459 4 ↓
Lo Low (pH 4.5-6) 3.82 9.09 -42.75 3 6 1 83 429.475 4 ↓

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )