UCSF

ZINC19770201

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 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) 1.51 6.35 -45.72 1 8 1 72 410.498 4
Mid Mid (pH 6-8) 1.51 6.43 -48.9 1 8 1 72 410.498 4
Mid Mid (pH 6-8) 1.51 4.11 -13.04 0 8 0 71 409.49 4

Activity (Go SEA)

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