UCSF

ZINC45649540

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 18 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) 1.69 1.4 -10.63 2 5 0 79 288.394 4
Mid Mid (pH 6-8) 2.15 -0.88 -40.88 1 5 -1 82 287.386 4

Activity (Go SEA)

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