UCSF

ZINC37049843

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 1.73 3.23 -41.84 3 4 1 49 265.377 5
Mid Mid (pH 6-8) 1.73 5.19 -104.81 4 4 2 51 266.385 5

Activity (Go SEA)

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