UCSF

ZINC13737939

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 28 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) 4.52 10.85 -13.55 1 4 0 49 498.449 3
Mid Mid (pH 6-8) 4.30 10.78 -37.61 1 4 1 51 499.457 3
Mid Mid (pH 6-8) 5.06 9.09 -42.52 0 4 -1 56 497.441 3

Activity (Go SEA)

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