UCSF

ZINC28770530

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2009 20 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) 1.08 7 -236.42 8 4 4 64 290.54 15
Hi High (pH 8-9.5) 1.09 2.38 -89.95 6 4 2 62 288.524 15
Hi High (pH 8-9.5) 1.09 4.39 -83.13 6 4 2 61 288.524 15
Mid Mid (pH 6-8) 1.09 4.76 -158.68 7 4 3 63 289.532 15
Mid Mid (pH 6-8) 1.08 6.62 -153.88 7 4 3 63 289.532 15

Activity (Go SEA)

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