UCSF

ZINC07997658

Substance Information

In ZINC since Heavy atoms Benign functionality
June 27th, 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) 5.16 10.4 -46.03 1 3 -1 60 375.573 4
Lo Low (pH 4.5-6) 5.16 8.42 -6.63 2 3 0 58 376.581 4

Activity (Go SEA)

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