UCSF

ZINC37025122

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 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) 1.23 5 -45.4 4 5 1 73 265.381 6
Hi High (pH 8-9.5) 1.23 4.3 -8.88 3 5 0 71 264.373 6
Mid Mid (pH 6-8) 1.23 5.01 -88.42 5 5 2 74 266.389 6

Activity (Go SEA)

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