UCSF

ZINC40175263

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) 3.76 11.14 -29.34 1 6 1 56 406.506 7
Mid Mid (pH 6-8) 3.76 12.87 -47.69 1 6 1 56 406.506 7
Mid Mid (pH 6-8) 3.76 10.65 -9.49 0 6 0 55 405.498 7
Lo Low (pH 4.5-6) 3.76 13.36 -87.84 2 6 2 57 407.514 7

Activity (Go SEA)

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