UCSF

ZINC42678425

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2010 22 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) 2.54 6.96 -12.65 0 4 0 50 312.394 4
Lo Low (pH 4.5-6) 2.54 7.42 -40.4 1 4 1 52 313.402 4

Activity (Go SEA)

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