UCSF

ZINC43405098

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 Yes

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) 1.79 7.64 -96.42 4 4 2 58 284.407 5
Hi High (pH 8-9.5) 1.79 7.21 -45.74 3 4 1 57 283.399 5
Lo Low (pH 4.5-6) 1.79 7.99 -173.49 5 4 3 59 285.415 5

Activity (Go SEA)

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