UCSF

ZINC49093602

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2010 20 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) 2.98 8.4 -51.84 2 4 1 57 280.436 5
Hi High (pH 8-9.5) 2.84 6.96 -34.2 1 4 0 64 279.428 5

Activity (Go SEA)

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