UCSF

ZINC19885228

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 28 Yes

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) 2.14 8.43 -42.94 2 6 1 63 382.532 7
Mid Mid (pH 6-8) 2.14 6.27 -11.05 1 6 0 61 381.524 7
Lo Low (pH 4.5-6) 2.14 8.81 -84.48 3 6 2 64 383.54 7

Activity (Go SEA)

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