UCSF

ZINC42902247

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 17 No

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) -0.01 1.79 -53.27 3 3 1 48 253.391 3
Lo Low (pH 4.5-6) -0.01 4.19 -135.55 4 3 2 49 254.399 3

Activity (Go SEA)

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