UCSF

ZINC34955669

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 20 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) 2.69 3.67 -9.48 2 4 0 58 292.335 3
Hi High (pH 8-9.5) 2.69 3.69 -43.97 1 4 -1 60 291.327 3

Activity (Go SEA)

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