UCSF

ZINC38094838

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2009 19 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) 0.10 4.29 -44.67 3 5 1 64 263.365 2
Lo Low (pH 4.5-6) 0.10 4.7 -80.68 4 5 2 65 264.373 2

Activity (Go SEA)

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