UCSF

ZINC33816983

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 18 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) 1.93 5.52 -39.65 2 4 0 66 242.278 3
Mid Mid (pH 6-8) 1.93 4 -12.72 2 4 0 62 242.278 3
Mid Mid (pH 6-8) 1.93 5.03 -50.06 1 4 -1 65 241.27 3
Lo Low (pH 4.5-6) 1.93 4.6 -39.4 3 4 1 63 243.286 3

Activity (Go SEA)

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