UCSF

ZINC45629081

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.12 8.26 -30.47 2 2 1 16 237.411 3
Hi High (pH 8-9.5) 3.12 6.73 -36.95 2 2 1 20 237.411 3
Mid Mid (pH 6-8) 3.12 9.06 -106.38 3 2 2 21 238.419 3

Activity (Go SEA)

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