UCSF

ZINC09086371

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2007 32 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) 2.62 7.48 -49.55 0 8 -1 97 440.472 9
Mid Mid (pH 6-8) 2.03 7.5 -17.5 0 8 0 91 441.48 9
Mid Mid (pH 6-8) 3.06 6.94 -15.82 1 8 0 95 441.48 8

Activity (Go SEA)

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