UCSF

ZINC37000240

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 16 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) 1.80 6.09 -38.55 2 3 1 34 290.225 3
Hi High (pH 8-9.5) 1.99 4.33 -37.2 1 3 0 40 289.217 3

Activity (Go SEA)

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