UCSF

ZINC37856466

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) -0.66 0.15 -18.86 1 8 0 100 335.407 4
Mid Mid (pH 6-8) -0.21 -2.04 -47.81 0 8 -1 103 334.399 4

Activity (Go SEA)

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