UCSF

ZINC37045513

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) 2.13 3.27 -48.31 2 6 -1 102 317.705 4
Mid Mid (pH 6-8) 2.13 3.3 -96.43 1 6 -2 104 316.697 4

Activity (Go SEA)

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