UCSF

ZINC32256355

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2009 17 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) 1.74 7.2 -11.71 0 3 0 24 232.327 2
Ref Reference (pH 7) 2.40 5.06 -6.09 1 3 0 27 232.327 2

Activity (Go SEA)

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