UCSF

ZINC45689660

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 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) 2.50 5.34 -41.44 2 4 1 38 265.377 7
Mid Mid (pH 6-8) 2.50 6.17 -39.52 2 4 1 35 265.377 7
Lo Low (pH 4.5-6) 2.50 7.42 -121.53 3 4 2 40 266.385 7

Activity (Go SEA)

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