UCSF

ZINC20227359

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 21 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) 5.02 8.69 -40.26 0 4 -1 57 382.646 3
Mid Mid (pH 6-8) 5.02 9.11 -20.01 1 4 0 55 383.654 3

Activity (Go SEA)

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