UCSF

ZINC36984815

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 12 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) 1.29 4.5 -51.68 2 3 1 54 165.216 4
Hi High (pH 8-9.5) 1.29 3.12 -6.91 1 3 0 49 164.208 4

Activity (Go SEA)

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