UCSF

ZINC32603996

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2009 26 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) 4.93 12.77 -8.45 2 7 0 75 354.458 5
Mid Mid (pH 6-8) 4.93 12.87 -24.2 3 7 1 76 355.466 5
Lo Low (pH 4.5-6) 4.93 13.11 -30.48 3 7 1 76 355.466 5

Activity (Go SEA)

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