UCSF

ZINC37076593

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 3.40 6.49 -34.17 3 4 1 63 326.825 7
Hi High (pH 8-9.5) 3.40 6.25 -46.58 1 4 -1 61 324.809 7
Mid Mid (pH 6-8) 3.40 5.49 -6.53 2 4 0 59 325.817 7

Activity (Go SEA)

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