UCSF

ZINC00200757

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 23 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) 3.22 9.24 -10.32 1 4 0 47 307.397 5
Mid Mid (pH 6-8) 3.22 9.73 -32.68 2 4 1 48 308.405 5

Activity (Go SEA)

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