UCSF

ZINC36621625

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 31 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) 2.99 13.11 -50.35 1 6 1 55 422.528 5
Mid Mid (pH 6-8) 2.99 10.89 -10.36 0 6 0 54 421.52 5

Activity (Go SEA)

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