UCSF

ZINC37048102

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 0.14 0.52 -180.68 0 8 -3 137 333.367 8
Hi High (pH 8-9.5) 0.14 0.49 -100.68 1 8 -2 135 334.375 8
Mid Mid (pH 6-8) 0.14 0.48 -92.76 1 8 -2 135 334.375 8

Activity (Go SEA)

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