UCSF

ZINC19883988

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 16 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) 4.23 6.24 -27.12 2 2 0 40 262.18 5
Mid Mid (pH 6-8) 4.23 5.59 -36.49 3 2 1 37 263.188 5

Activity (Go SEA)

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