UCSF

ZINC32829095

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2009 27 No

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) 1.70 3.49 -7.27 2 10 0 136 394.306 8
Mid Mid (pH 6-8) 1.70 5.89 -46.31 3 10 1 138 395.314 8

Activity (Go SEA)

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