UCSF

ZINC11934299

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2008 28 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) 2.83 -0.13 -39.75 1 5 1 51 374.464 3
Lo Low (pH 4.5-6) 2.83 -0.02 -90.53 2 5 2 52 375.472 3

Activity (Go SEA)

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