UCSF

ZINC37051736

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 0.20 4.26 -50.14 3 5 1 64 265.381 5
Hi High (pH 8-9.5) 0.20 2.88 -12.71 2 5 0 59 264.373 5
Lo Low (pH 4.5-6) 0.20 4.42 -108.4 4 5 2 65 266.389 5

Activity (Go SEA)

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