UCSF

ZINC04068359

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2005 37 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) 7.14 16.04 -19.71 1 5 0 65 493.603 7
Mid Mid (pH 6-8) 7.25 0.11 -8.71 0 5 0 64 493.603 7

Activity (Go SEA)

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