UCSF

ZINC01208288

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2004 27 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) 2.58 3.52 -46.75 0 7 -1 93 365.365 4
Mid Mid (pH 6-8) 2.12 6.19 -10.42 1 7 0 90 366.373 4

Activity (Go SEA)

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