UCSF

ZINC34938150

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 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) 1.53 4.41 -53.49 3 4 1 62 238.336 4
Mid Mid (pH 6-8) 1.53 2.64 -21.17 2 4 0 58 237.328 4

Activity (Go SEA)

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