UCSF

ZINC37082182

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) 0.01 5.23 -37.29 3 4 1 49 265.377 5
Mid Mid (pH 6-8) 0.01 5.54 -127.49 4 4 2 51 266.385 5
Mid Mid (pH 6-8) 0.01 3.87 -44.37 3 4 1 49 265.377 5

Activity (Go SEA)

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