UCSF

ZINC13686027

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) 2.84 10.02 -80.3 1 7 0 83 442.487 9
Mid Mid (pH 6-8) 3.28 8.91 -57.65 2 7 1 81 443.495 8
Mid Mid (pH 6-8) 2.25 9.84 -54.53 1 7 1 77 443.495 9

Activity (Go SEA)

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