UCSF

ZINC45689809

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) 2.99 6.94 -30.31 2 3 1 29 265.421 9
Mid Mid (pH 6-8) 2.99 9.02 -29.21 2 3 1 26 265.421 9
Lo Low (pH 4.5-6) 2.99 8.95 -104.72 3 3 2 30 266.429 9

Activity (Go SEA)

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