UCSF

ZINC09311192

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2007 36 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) 7.04 13.9 -15.56 1 8 0 110 503.58 8
Mid Mid (pH 6-8) 6.55 13.81 -48.18 0 8 -1 108 502.572 9

Activity (Go SEA)

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