UCSF

ZINC36996433

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 20 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) 2.64 7.09 -37.54 2 3 1 23 274.432 4
Lo Low (pH 4.5-6) 2.64 9.34 -109.86 3 3 2 24 275.44 4

Activity (Go SEA)

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