UCSF

ZINC09331479

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2007 30 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) 7.35 15.3 -8.62 1 2 0 29 390.461 4
Mid Mid (pH 6-8) 7.35 15.69 -33.24 2 2 1 30 391.469 4

Activity (Go SEA)

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