UCSF

ZINC37859118

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 16 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) -0.40 0.53 -15.67 1 6 0 94 261.328 4
Mid Mid (pH 6-8) 0.05 -1.59 -43.12 0 6 -1 97 260.32 4

Activity (Go SEA)

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