UCSF

ZINC34222101

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2009 24 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) 2.95 4.98 -43.32 1 5 -1 78 402.249 2
Hi High (pH 8-9.5) 2.95 5.76 -91.69 0 5 -2 81 401.241 2
Lo Low (pH 4.5-6) 2.50 6.95 -11.14 2 5 0 75 403.257 2

Activity (Go SEA)

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