UCSF

ZINC41471380

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 21 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) 3.53 8.68 -9.14 1 4 0 47 279.343 4
Lo Low (pH 4.5-6) 3.53 9.15 -30.8 2 4 1 48 280.351 4

Activity (Go SEA)

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