UCSF

ZINC08914755

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2007 30 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) 4.14 10.49 -63.88 0 6 -1 86 415.45 4
Mid Mid (pH 6-8) 3.56 11.8 -15.84 0 6 0 80 416.458 4
Mid Mid (pH 6-8) 4.59 10.23 -23.61 1 6 0 84 416.458 3

Activity (Go SEA)

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