UCSF

ZINC44269152

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 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) 4.99 8.53 -5.34 3 3 0 55 289.81 3
Lo Low (pH 4.5-6) 4.99 8.57 -29.29 4 3 1 56 290.818 3

Activity (Go SEA)

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