UCSF

ZINC13427498

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 33 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) 3.14 8.17 -58.88 0 7 -1 82 449.527 7
Mid Mid (pH 6-8) 3.58 9.82 -49.29 2 7 1 81 451.543 6
Mid Mid (pH 6-8) 3.14 10.52 -70.96 1 7 0 83 450.535 7

Activity (Go SEA)

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