UCSF

ZINC43454991

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 18 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) 4.33 7.95 -36.19 2 2 1 20 253.454 7
Lo Low (pH 4.5-6) 4.33 10.21 -109.18 3 2 2 21 254.462 7

Activity (Go SEA)

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