UCSF

ZINC33247330

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2009 18 No

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) 2.20 3.9 -59.38 0 6 -1 95 281.294 3
Lo Low (pH 4.5-6) 1.74 4.98 -25.26 1 6 0 92 282.302 3

Activity (Go SEA)

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