UCSF

ZINC42582351

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 17 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) 1.21 6.63 -50.35 0 5 -1 70 242.295 7
Lo Low (pH 4.5-6) 1.21 4.64 -8.45 1 5 0 67 243.303 7

Activity (Go SEA)

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