UCSF

ZINC32538767

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2009 17 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) 3.14 8.07 -107.57 3 2 2 21 238.419 2
Hi High (pH 8-9.5) 3.14 5.63 -34.68 2 2 1 20 237.411 2
Mid Mid (pH 6-8) 3.14 7.25 -31.37 2 2 1 16 237.411 2

Activity (Go SEA)

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