UCSF

ZINC21548776

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 24 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) 3.93 9.52 -57.29 2 4 1 50 456.133 4
Hi High (pH 8-9.5) 4.39 6.93 -36.41 0 4 -1 52 454.117 4
Mid Mid (pH 6-8) 3.93 7.98 -11.3 1 4 0 49 455.125 4
Mid Mid (pH 6-8) 4.39 9.3 -35.17 1 4 0 53 455.125 4

Activity (Go SEA)

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