UCSF

ZINC36668003

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 13 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) 3.04 6.46 -39.69 2 1 1 17 245.115 4
Hi High (pH 8-9.5) 3.04 5.08 -3 1 1 0 12 244.107 4

Activity (Go SEA)

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