UCSF

ZINC61820701

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2011 18 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) 2.57 6.41 -42.03 2 3 1 42 248.346 3
Hi High (pH 8-9.5) 2.57 5 -42.57 0 3 -1 43 246.33 3
Mid Mid (pH 6-8) 2.57 4.23 -7.94 1 3 0 41 247.338 3

Activity (Go SEA)

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