UCSF

ZINC45629538

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 12 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) 2.01 4.5 -6 1 2 0 36 164.252 3
Mid Mid (pH 6-8) 2.01 5.69 -49.67 2 2 1 40 165.26 3

Activity (Go SEA)

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