UCSF

ZINC06752812

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2006 31 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) 4.22 7.32 -14.81 2 7 0 88 421.497 9
Mid Mid (pH 6-8) 4.22 8.08 -55.6 1 7 -1 91 420.489 9

Activity (Go SEA)

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