UCSF

ZINC43263012

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 20 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) 1.49 5.34 -50.78 3 4 1 51 361.329 3
Hi High (pH 8-9.5) 1.49 5 -7.24 2 4 0 50 360.321 3
Lo Low (pH 4.5-6) 1.49 6.69 -126.9 4 4 2 52 362.337 3

Activity (Go SEA)

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