UCSF

ZINC34937713

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 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) 1.38 1.53 -48.65 3 5 1 65 319.175 7
Hi High (pH 8-9.5) 1.38 0.11 -8.97 2 5 0 60 318.167 7

Activity (Go SEA)

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