UCSF

ZINC24887094

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2009 19 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) 2.02 6.66 -39.68 2 3 1 33 260.405 6
Lo Low (pH 4.5-6) 2.02 7.04 -80.81 3 3 2 34 261.413 6
Lo Low (pH 4.5-6) 2.02 8.97 -107.42 3 3 2 34 261.413 6

Activity (Go SEA)

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