UCSF

ZINC34937438

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 9 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) -0.12 -1.77 -9 3 3 0 55 126.159 3
Mid Mid (pH 6-8) -0.12 -0.5 -39.01 4 3 1 60 127.167 3

Activity (Go SEA)

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