UCSF

ZINC19855367

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 14 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) 1.27 4.32 -8.86 0 3 0 21 187.246 0
Mid Mid (pH 6-8) 1.27 4.71 -26.09 1 3 1 22 188.254 0
Mid Mid (pH 6-8) 1.27 6.73 -47.06 1 3 1 22 188.254 0
Lo Low (pH 4.5-6) 1.27 7.12 -102.17 2 3 2 24 189.262 0

Activity (Go SEA)

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