UCSF

ZINC35717300

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 21 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) 2.10 7.97 -43.73 3 2 1 31 283.439 6
Hi High (pH 8-9.5) 2.10 7.58 -2.3 2 2 0 29 282.431 6
Lo Low (pH 4.5-6) 2.10 9.8 -121.5 4 2 2 32 284.447 6

Activity (Go SEA)

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