UCSF

ZINC59602862

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2011 30 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) 2.34 5.75 -373.53 11 6 5 95 429.762 11
Hi High (pH 8-9.5) 2.34 2.63 -89.49 8 6 2 81 426.738 11
Hi High (pH 8-9.5) 2.34 3.43 -160.4 9 6 3 86 427.746 11
Mid Mid (pH 6-8) 2.34 4.58 -234.69 10 6 4 90 428.754 11
Lo Low (pH 4.5-6) 2.34 7.09 -553.52 12 6 6 100 430.77 11

Activity (Go SEA)

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