UCSF

ZINC52129279

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2010 21 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) 1.64 4.8 -13.15 1 5 0 48 304.419 4
Mid Mid (pH 6-8) 1.64 7.01 -53.55 2 5 1 50 305.427 4

Activity (Go SEA)

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