UCSF

ZINC37321164

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 20 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) 1.35 6.69 -51.03 3 4 1 55 272.372 4
Mid Mid (pH 6-8) 1.35 7.2 -89.52 4 4 2 56 273.38 4

Activity (Go SEA)

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