UCSF

ZINC32777982

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2009 21 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) 0.01 5.15 -48.14 3 7 1 87 290.347 4
Hi High (pH 8-9.5) 0.01 2.8 -18.39 2 7 0 86 289.339 4

Activity (Go SEA)

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