UCSF

ZINC37793894

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) 1.75 7.48 -49.38 1 6 -1 85 288.327 4
Mid Mid (pH 6-8) 1.75 7.81 -60.97 2 6 0 87 289.335 4
Lo Low (pH 4.5-6) 1.75 5.81 -35.16 3 6 1 84 290.343 4

Activity (Go SEA)

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