UCSF

ZINC44243553

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 18 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) 0.50 -0.83 -51.15 3 6 1 85 337.219 4
Mid Mid (pH 6-8) 0.50 -1.11 -38.86 2 6 0 87 336.211 4

Activity (Go SEA)

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