UCSF

ZINC41652968

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 19 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) 1.48 4.29 -11.47 3 4 0 68 255.321 4
Lo Low (pH 4.5-6) 1.48 4.75 -39.25 4 4 1 69 256.329 4

Activity (Go SEA)

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