UCSF

ZINC00700522

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 36 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) 5.04 11.33 -13.63 1 6 0 64 507.7 11
Mid Mid (pH 6-8) 5.04 13.51 -59.18 2 6 1 65 508.708 11

Activity (Go SEA)

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