UCSF

ZINC36863296

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 15 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) -1.16 -2.38 -14.46 5 6 0 100 210.237 4
Mid Mid (pH 6-8) -1.60 -4.23 -56.37 5 6 1 98 211.245 4

Activity (Go SEA)

Rings

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