UCSF

ZINC37039567

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) -0.70 2.61 -97.31 4 5 2 56 256.394 4
Mid Mid (pH 6-8) -0.70 0.41 -48.27 3 5 1 54 255.386 4
Lo Low (pH 4.5-6) -0.70 2.69 -118.56 4 5 2 56 256.394 4

Activity (Go SEA)

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