UCSF

ZINC66182764

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 23 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) 5.05 10.44 -4.86 1 3 0 24 312.457 9
Lo Low (pH 4.5-6) 5.05 10.54 -22.22 2 3 0 26 313.465 9

Activity (Go SEA)

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