UCSF

ZINC36636076

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 34 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) 4.87 10.42 -16.28 0 7 0 74 456.498 5
Mid Mid (pH 6-8) 4.87 12.32 -56.6 1 7 1 75 457.506 5

Activity (Go SEA)

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