UCSF

ZINC36382355

Substance Information

In ZINC since Heavy atoms Benign functionality
October 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) 6.84 14.53 -11.47 1 3 0 29 375.903 6
Mid Mid (pH 6-8) 6.84 14.94 -27.86 2 3 1 31 376.911 6

Activity (Go SEA)

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