UCSF

ZINC36896053

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 17 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) 0.58 5.99 -42.88 3 3 1 45 230.335 3
Hi High (pH 8-9.5) 0.58 5.69 -6.99 2 3 0 44 229.327 3
Lo Low (pH 4.5-6) 0.58 6.84 -104.32 4 3 2 47 231.343 3

Activity (Go SEA)

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