UCSF

ZINC13617702

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 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) 4.40 11.9 -68.91 1 6 0 74 477.388 8
Mid Mid (pH 6-8) 4.84 10.42 -57.87 2 6 1 71 478.396 7
Mid Mid (pH 6-8) 3.81 11.8 -55.15 1 6 1 68 478.396 8

Activity (Go SEA)

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