UCSF

ZINC41011241

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2010 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) -1.39 -2.72 -48.62 5 6 1 99 243.312 5
Hi High (pH 8-9.5) -1.39 -3.13 -11.39 4 6 0 97 242.304 5

Activity (Go SEA)

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