UCSF

ZINC32097215

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 23 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) 2.80 0.28 -14.25 3 6 0 91 315.373 3
Ref Reference (pH 7) 2.62 2.94 -15.69 3 6 0 87 315.373 3

Activity (Go SEA)

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