UCSF

ZINC19921007

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 29 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) 4.49 11.4 -42.98 1 7 -1 87 388.451 4
Mid Mid (pH 6-8) 3.72 12.92 -26.67 1 7 0 79 389.459 3
Mid Mid (pH 6-8) 4.49 10.72 -116.6 0 7 -2 89 387.443 4

Activity (Go SEA)

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