UCSF

ZINC37812581

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 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) 0.37 5.34 -101.35 4 4 2 52 261.369 2
Hi High (pH 8-9.5) 0.37 2.8 -7.49 2 4 0 50 259.353 2
Mid Mid (pH 6-8) 0.37 3.2 -56.24 3 4 1 51 260.361 2

Activity (Go SEA)

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