UCSF

ZINC42145488

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 25 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) 2.48 5.26 -50.61 1 7 0 93 347.415 6
Lo Low (pH 4.5-6) 2.02 8.33 -58.59 2 7 1 90 348.423 6

Activity (Go SEA)

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