UCSF

ZINC36984999

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 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) 3.06 4.21 -18.64 2 5 0 82 302.717 4
Hi High (pH 8-9.5) 3.06 4.98 -48.13 1 5 -1 85 301.709 4

Activity (Go SEA)

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