UCSF

ZINC34955861

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 19 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) 2.85 3.4 -47.03 3 4 1 63 389.122 3
Mid Mid (pH 6-8) 2.85 3.41 -44.68 2 4 0 65 388.114 3

Activity (Go SEA)

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