UCSF

ZINC41580728

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 21 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) 4.84 6.88 -8.41 3 4 0 73 291.391 4
Hi High (pH 8-9.5) 4.84 7.88 -56.5 2 4 -1 75 290.383 4

Activity (Go SEA)

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