UCSF

ZINC35084297

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 16 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) 0.74 7.2 -31.58 1 4 0 54 243.69 5
Hi High (pH 8-9.5) 0.74 4.93 -46.32 0 4 -1 53 242.682 5

Activity (Go SEA)

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