UCSF

ZINC34874609

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 35 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) 4.58 8.56 -79.3 2 9 0 109 493.589 9
Hi High (pH 8-9.5) 4.58 6.09 -55.51 1 9 -1 108 492.581 9
Lo Low (pH 4.5-6) 4.58 9.1 -53.08 3 9 1 107 494.597 9

Activity (Go SEA)

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