UCSF

ZINC37056933

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 1.40 4.61 -98.29 0 7 -2 115 317.294 8
Mid Mid (pH 6-8) 1.40 4.55 -50.35 1 7 -1 113 318.302 8

Activity (Go SEA)

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