UCSF

ZINC34590213

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 26 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) 2.51 5.21 -53.37 3 6 1 74 362.446 11
Mid Mid (pH 6-8) 2.51 3.8 -12.49 2 6 0 69 361.438 11

Activity (Go SEA)

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