UCSF

ZINC13732774

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 32 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) 2.88 10.77 -83.08 1 7 0 83 442.487 9
Mid Mid (pH 6-8) 3.33 9.39 -64.89 2 7 1 81 443.495 8
Mid Mid (pH 6-8) 2.30 10.62 -67 1 7 1 77 443.495 9

Activity (Go SEA)

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