UCSF

ZINC44243670

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 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) -0.22 0.22 -16.13 1 7 0 83 377.264 4
Mid Mid (pH 6-8) -0.22 1.52 -58.9 2 7 1 87 378.272 4

Activity (Go SEA)

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