UCSF

ZINC37213768

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 1.55 1.16 -54.42 4 5 1 80 312.459 6
Mid Mid (pH 6-8) 1.54 3.49 -129.52 5 5 2 81 313.467 6
Mid Mid (pH 6-8) 1.55 2.44 -43.42 4 5 1 77 312.459 6

Activity (Go SEA)

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