UCSF

ZINC32113489

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 18 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) 1.57 3.26 -52.31 3 4 1 59 265.358 4
Hi High (pH 8-9.5) 1.57 2.86 -8.66 2 4 0 57 264.35 4

Activity (Go SEA)

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