UCSF

ZINC00343475

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 14 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) 0.29 3.32 -14.14 1 4 0 59 187.202 1
Lo Low (pH 4.5-6) 0.29 3.54 -37.67 2 4 1 60 188.21 1

Activity (Go SEA)

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