UCSF

ZINC40175265

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 30 Yes

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) 3.79 11.01 -32.45 1 6 1 56 406.506 7
Mid Mid (pH 6-8) 3.79 12.82 -48.85 1 6 1 56 406.506 7
Mid Mid (pH 6-8) 3.79 13.21 -91.09 2 6 2 57 407.514 7
Mid Mid (pH 6-8) 3.79 10.6 -8.46 0 6 0 55 405.498 7

Activity (Go SEA)

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