UCSF

ZINC08820911

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 34 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) 7.74 13.8 -11.14 1 5 0 64 493.028 7
Mid Mid (pH 6-8) 7.25 13.7 -45.1 0 5 -1 63 492.02 8

Activity (Go SEA)

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