UCSF

ZINC02378683

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 18 Yes

Other Names:

MFCD01320077

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) 3.02 8.94 -49.59 0 3 -1 57 255.24 7
Lo Low (pH 4.5-6) 3.02 6.96 -12.18 1 3 0 54 256.248 7

Activity (Go SEA)

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