UCSF

ZINC37081337

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 2.17 8.96 -44.69 1 4 0 58 245.278 4
Hi High (pH 8-9.5) 2.17 6.55 -53.09 0 4 -1 57 244.27 4

Activity (Go SEA)

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