UCSF

ZINC09311189

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2007 33 No

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) 7.08 13.18 -11.32 1 5 0 64 458.583 7
Mid Mid (pH 6-8) 6.59 13.12 -46.27 0 5 -1 63 457.575 8

Activity (Go SEA)

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