UCSF

ZINC08893214

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2007 35 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) 3.76 11.18 -53.29 0 9 -1 122 493.517 10
Mid Mid (pH 6-8) 3.17 10.1 -23.82 0 9 0 116 494.525 10
Mid Mid (pH 6-8) 4.20 9.1 -31.83 1 9 0 119 494.525 9

Activity (Go SEA)

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