UCSF

ZINC35837403

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 15 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) 0.67 3.52 -102.84 4 4 2 56 213.325 6
Hi High (pH 8-9.5) 0.67 1.78 -7.47 2 4 0 50 211.309 6
Mid Mid (pH 6-8) 0.67 2.24 -29.57 3 4 1 51 212.317 6
Mid Mid (pH 6-8) 0.67 3.1 -37.89 3 4 1 55 212.317 6

Activity (Go SEA)

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