UCSF

ZINC20523982

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 17 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) 1.33 8.3 -79.41 3 3 2 21 239.407 4
Hi High (pH 8-9.5) 1.33 5.85 -28.75 2 3 1 20 238.399 4
Mid Mid (pH 6-8) 1.33 6.06 -113.3 3 3 2 24 239.407 4
Lo Low (pH 4.5-6) 1.33 8.45 -192.81 4 3 3 25 240.415 4

Activity (Go SEA)

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