UCSF

ZINC34992262

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 16 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) 3.01 4.6 -5.73 1 2 0 21 290.107 5
Mid Mid (pH 6-8) 3.01 6.01 -43.17 2 2 1 26 291.115 5

Activity (Go SEA)

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