UCSF

ZINC04324103

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2005 15 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) 0.75 2.16 -12.63 1 4 0 48 207.229 2
Mid Mid (pH 6-8) 0.81 -1.14 -7.8 1 4 0 51 207.229 2

Activity (Go SEA)

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