UCSF

ZINC19485845

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 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) -1.98 3.52 -42.95 2 9 -1 133 252.21 3
Hi High (pH 8-9.5) -1.98 3.22 -95.92 1 9 -2 128 251.202 3
Mid Mid (pH 6-8) -1.49 4.49 -38.93 2 9 -1 125 252.21 3

Activity (Go SEA)

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