UCSF

ZINC42463213

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 15 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) 1.64 3.72 -91.12 4 3 2 35 215.385 3
Hi High (pH 8-9.5) 1.64 1.61 -36.93 3 3 1 34 214.377 3

Activity (Go SEA)

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