UCSF

ZINC05314438

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2006 27 No

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) 4.50 5.63 -14.74 3 7 0 100 429.274 6
Hi High (pH 8-9.5) 4.50 6.4 -53.53 2 7 -1 102 428.266 6
Hi High (pH 8-9.5) 4.50 6.26 -54.75 2 7 -1 102 428.266 6

Activity (Go SEA)

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