UCSF

ZINC44679536

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 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) 1.84 5.06 -40.32 3 3 1 32 258.389 4
Hi High (pH 8-9.5) 1.84 6.19 -32.71 3 3 1 28 258.389 4
Lo Low (pH 4.5-6) 1.84 7.4 -111.1 4 3 2 33 259.397 4

Activity (Go SEA)

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