UCSF

ZINC23363482

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 9 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) 0.25 0.84 -33.05 3 2 1 29 127.211 1
Lo Low (pH 4.5-6) 0.25 1.52 -36.17 3 2 1 29 127.211 1

Activity (Go SEA)

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