UCSF

ZINC36932942

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) 2.53 4.79 -41.7 2 3 1 29 320.276 5
Hi High (pH 8-9.5) 2.53 3.18 -3.04 1 3 0 24 319.268 5
Lo Low (pH 4.5-6) 2.53 6.69 -125.05 3 3 2 30 321.284 5

Activity (Go SEA)

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