UCSF

ZINC44243301

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 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) 0.92 0.12 -48.27 3 5 1 78 307.193 2
Mid Mid (pH 6-8) 0.92 -0.24 -8 2 5 0 76 306.185 2

Activity (Go SEA)

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