UCSF

ZINC49973458

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2010 17 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) 1.32 4.53 -39.67 2 4 1 38 237.323 4
Hi High (pH 8-9.5) 1.32 3.16 -4.4 1 4 0 34 236.315 4

Activity (Go SEA)

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