UCSF

ZINC13730818

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 21 Yes

Other Names:

MFCD09691972

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) 0.67 3.53 -56.36 3 5 1 68 289.355 8
Lo Low (pH 4.5-6) 0.67 3.81 -118.32 4 5 2 69 290.363 8

Activity (Go SEA)

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