UCSF

ZINC41655172

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 19 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) 4.42 9.47 -55.49 0 3 -1 53 256.325 2
Mid Mid (pH 6-8) 4.42 9.78 -43.44 1 3 0 54 257.333 2

Activity (Go SEA)

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