UCSF

ZINC37796064

Substance Information

In ZINC since Heavy atoms Benign functionality
December 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) 0.80 2.72 -49.95 2 6 -1 99 250.23 4
Lo Low (pH 4.5-6) 0.80 0.72 -12.3 3 6 0 96 251.238 4

Activity (Go SEA)

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