UCSF

ZINC33863411

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2009 18 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) 3.05 4 -46.23 0 3 -1 45 278.378 3
Lo Low (pH 4.5-6) 2.60 6.04 -9.86 1 3 0 42 279.386 3

Activity (Go SEA)

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