UCSF

ZINC36989868

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 3.41 7.53 -40.77 2 3 1 29 256.373 3
Lo Low (pH 4.5-6) 3.41 7.97 -84.87 3 3 2 31 257.381 3

Activity (Go SEA)

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