UCSF

ZINC36879212

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 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) 2.36 5.99 -39.16 3 3 1 40 263.405 4
Hi High (pH 8-9.5) 2.36 6.57 -25.41 3 3 1 40 263.405 4

Activity (Go SEA)

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