UCSF

ZINC32097063

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 29 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) 1.98 7.58 -18.71 1 8 0 95 393.447 5
Ref Reference (pH 7) 1.80 10.36 -16.46 1 8 0 91 393.447 5

Activity (Go SEA)

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