UCSF

ZINC35303898

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 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) -0.71 3.31 -69.12 1 6 -1 93 278.313 3
Mid Mid (pH 6-8) -1.17 6.09 -43.38 2 6 0 90 279.321 3

Activity (Go SEA)

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