UCSF

ZINC32902721

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2009 24 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) 2.56 4.13 -11.27 1 6 0 79 368.48 5
Mid Mid (pH 6-8) 3.01 3.02 -40.77 0 6 -1 83 367.472 5

Activity (Go SEA)

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