UCSF

ZINC34603502

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 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) 0.39 8.72 -113.51 3 7 0 102 425.407 5
Hi High (pH 8-9.5) 0.39 8.61 -67.21 2 7 -1 101 424.399 5
Mid Mid (pH 6-8) 0.39 6.71 -66.91 4 7 1 99 426.415 5
Lo Low (pH 4.5-6) -2.36 6.75 -88.88 4 7 1 105 426.415 4

Activity (Go SEA)

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