UCSF

ZINC20391511

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 28 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) 3.19 6.11 -48.9 2 6 1 67 381.452 4
Hi High (pH 8-9.5) 3.19 4.43 -44.79 0 6 -1 69 379.436 4
Mid Mid (pH 6-8) 3.19 6.04 -48.89 2 6 1 67 381.452 4
Mid Mid (pH 6-8) 3.19 3.63 -14.65 1 6 0 66 380.444 4

Activity (Go SEA)

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