UCSF

ZINC36936320

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 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) 3.44 4.35 -7.1 2 3 0 52 257.12 2
Lo Low (pH 4.5-6) 3.44 4.27 -25.29 3 3 1 53 258.128 2

Activity (Go SEA)

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