UCSF

ZINC37093101

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 14 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) 1.49 3.97 -38.81 2 4 1 52 202.274 6
Mid Mid (pH 6-8) 1.49 2.81 -8.08 1 4 0 48 201.266 6

Activity (Go SEA)

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