UCSF

ZINC06149632

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2006 29 No

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) 5.72 12.97 -60.29 0 4 -1 60 390.503 8
Mid Mid (pH 6-8) 6.17 1.96 -17.58 1 4 0 57 391.511 7
Mid Mid (pH 6-8) 5.14 1.43 -9.24 0 4 0 54 391.511 8

Activity (Go SEA)

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