UCSF

ZINC21873988

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 28 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) 1.65 1.04 -46.88 2 7 -1 113 404.443 5
Mid Mid (pH 6-8) 1.65 1.02 -17.75 3 7 0 111 405.451 5
Mid Mid (pH 6-8) 1.34 3.09 -23.65 3 7 0 110 405.451 5

Activity (Go SEA)

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