UCSF

ZINC20125813

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 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) 2.66 6.99 -40.49 2 2 1 20 253.385 6
Mid Mid (pH 6-8) 2.66 8.01 -34.36 2 2 1 16 253.385 6
Lo Low (pH 4.5-6) 2.66 9.21 -122.4 3 2 2 21 254.393 6

Activity (Go SEA)

Rings

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