UCSF

ZINC36328454

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 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) 2.15 5.69 -120.86 4 4 2 51 284.444 2
Hi High (pH 8-9.5) 2.15 3.63 -40.92 3 4 1 49 283.436 2
Hi High (pH 8-9.5) 2.15 5.51 -31.05 3 4 1 49 283.436 2

Activity (Go SEA)

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