UCSF

ZINC34991094

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 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) 2.88 4.34 -42.2 2 3 1 29 324.189 7
Hi High (pH 8-9.5) 2.88 2.93 -4.39 1 3 0 24 323.181 7
Mid Mid (pH 6-8) 2.88 6.81 -117.55 3 3 2 30 325.197 7
Mid Mid (pH 6-8) 2.88 5.41 -38.07 2 3 1 26 324.189 7

Activity (Go SEA)

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