UCSF

ZINC19792335

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 30 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) 3.04 10.08 -83.96 4 5 2 50 413.606 13
Hi High (pH 8-9.5) 3.04 7.73 -39.04 3 5 1 49 412.598 13
Mid Mid (pH 6-8) 3.04 9.01 -90.99 4 5 2 54 413.606 13

Activity (Go SEA)

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