UCSF

ZINC09245751

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 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) 2.57 10.59 -77.36 1 7 0 87 437.54 10
Mid Mid (pH 6-8) 3.01 10.83 -50.6 2 7 1 84 438.548 9
Lo Low (pH 4.5-6) 3.01 11.11 -101.42 3 7 2 85 439.556 9

Activity (Go SEA)

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