UCSF

ZINC13978657

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 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) -0.21 3.53 -15.3 3 8 0 116 251.246 5
Lo Low (pH 4.5-6) -0.21 3.78 -40.02 4 8 1 117 252.254 5
Lo Low (pH 4.5-6) -0.21 -0.63 -36.12 4 8 1 117 252.254 5

Activity (Go SEA)

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