UCSF

ZINC09186811

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2007 36 No

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) 2.55 11.23 -76.33 1 9 0 101 492.576 9
Mid Mid (pH 6-8) 3.00 10.75 -46.32 2 9 1 98 493.584 8
Mid Mid (pH 6-8) 3.00 11.17 -88.9 3 9 2 99 494.592 8

Activity (Go SEA)

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