UCSF

ZINC36900705

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 18 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) -1.07 -1.84 -106.13 0 8 -2 127 273.27 7
Lo Low (pH 4.5-6) -1.07 -1.11 -54.24 1 8 -1 125 274.278 7

Activity (Go SEA)

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