UCSF

ZINC32975015

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2009 36 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) 4.38 13.3 -52.67 2 7 1 70 483.592 10
Hi High (pH 8-9.5) 4.38 10.89 -16.18 1 7 0 69 482.584 10

Activity (Go SEA)

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