UCSF

ZINC00958817

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 29 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) 4.00 8.11 -18.02 1 6 0 77 422.432 4
Mid Mid (pH 6-8) 0.75 3.35 -4.25 0 1 0 13 93.129 0

Activity (Go SEA)

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