UCSF

ZINC19952847

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 11 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) 0.91 2.4 -27.08 4 3 1 52 150.205 2
Hi High (pH 8-9.5) 0.91 1.93 -4.6 3 3 0 51 149.197 2

Activity (Go SEA)

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