UCSF

ZINC35679940

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 18 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) -2.69 1.15 -58.46 1 7 -1 93 256.282 5
Mid Mid (pH 6-8) -2.69 3.28 -52.11 2 7 0 94 257.29 5

Activity (Go SEA)

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