UCSF

ZINC37051491

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 2.53 6.8 -10.53 1 4 0 43 278.359 2
Mid Mid (pH 6-8) 2.53 7.29 -33.33 2 4 1 44 279.367 2
Lo Low (pH 4.5-6) 2.53 7.72 -78.55 3 4 2 45 280.375 2

Activity (Go SEA)

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