UCSF

ZINC19800076

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 22 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) 2.77 10.05 -45.09 1 4 1 31 302.442 6
Hi High (pH 8-9.5) 2.77 7.74 -10.11 0 4 0 30 301.434 6
Mid Mid (pH 6-8) 2.77 10.47 -88.64 2 4 2 33 303.45 6

Activity (Go SEA)

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