UCSF

ZINC08894384

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2007 36 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) 5.65 13.68 -48.9 0 8 -1 119 502.503 6
Mid Mid (pH 6-8) 5.06 0.65 -19.52 0 8 0 113 503.511 6

Activity (Go SEA)

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