UCSF

ZINC37038306

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) 1.82 5.01 -48.56 3 4 1 51 270.441 7
Mid Mid (pH 6-8) 1.82 6.81 -123.81 4 4 2 52 271.449 7
Mid Mid (pH 6-8) 1.82 6.42 -38.86 3 4 1 51 270.441 7

Activity (Go SEA)

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