UCSF

ZINC36352560

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 24 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) 2.95 7.85 -10.26 1 4 0 50 325.318 2
Ref Reference (pH 7) 2.76 10.53 -9.89 1 4 0 47 325.318 2
Lo Low (pH 4.5-6) 2.76 10.98 -45.75 2 4 1 48 326.326 2

Activity (Go SEA)

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