UCSF

ZINC09185134

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 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) 5.39 13.05 -57.5 0 7 -1 100 501.515 6
Mid Mid (pH 6-8) 4.81 1.39 -15.3 0 7 0 93 502.523 6
Mid Mid (pH 6-8) 5.39 13.04 -15.32 1 7 0 97 502.523 6

Activity (Go SEA)

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