UCSF

ZINC37082043

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 14 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) 1.21 3.36 -94.73 4 3 2 41 204.358 7
Hi High (pH 8-9.5) 1.21 3.88 -35.5 3 3 1 44 203.35 7

Activity (Go SEA)

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