UCSF

ZINC25390854

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 27 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) 3.39 7.42 -11.27 1 5 0 51 366.461 7
Mid Mid (pH 6-8) 3.39 9.18 -41 2 5 1 52 367.469 7

Activity (Go SEA)

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