UCSF

ZINC37082207

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 12 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) 1.46 4.41 -102.82 4 2 2 32 174.332 5
Hi High (pH 8-9.5) 1.46 2.75 -38.95 3 2 1 31 173.324 5
Mid Mid (pH 6-8) 1.46 4.13 -28.14 3 2 1 30 173.324 5

Activity (Go SEA)

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