UCSF

ZINC58235199

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2011 14 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) 3.20 5.26 -4.58 1 2 0 21 191.274 1
Lo Low (pH 4.5-6) 3.20 5.73 -37.89 2 2 1 26 192.282 1

Activity (Go SEA)

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