UCSF

ZINC20523775

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 15 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) 0.92 2.18 -33.29 2 3 1 23 212.361 4
Hi High (pH 8-9.5) 0.92 4.65 -28.96 2 3 1 20 212.361 4
Mid Mid (pH 6-8) 0.92 5.02 -110.33 3 3 2 24 213.369 4
Mid Mid (pH 6-8) 0.92 4.53 -96.82 3 3 2 24 213.369 4
Mid Mid (pH 6-8) 0.92 7.12 -79.13 3 3 2 21 213.369 4
Lo Low (pH 4.5-6) 0.92 7.42 -187.93 4 3 3 25 214.377 4

Activity (Go SEA)

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