UCSF

ZINC09088729

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 30 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) 4.54 11.26 -38.28 0 6 -1 79 428.892 8
Mid Mid (pH 6-8) 3.95 8.47 -17.13 0 6 0 73 429.9 8
Mid Mid (pH 6-8) 4.98 7.7 -26.74 1 6 0 76 429.9 7

Activity (Go SEA)

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