UCSF

ZINC27521591

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2009 29 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) 5.80 10.21 -14.1 1 4 0 63 379.415 3
Mid Mid (pH 6-8) 5.80 11 -48.59 0 4 -1 66 378.407 3
Lo Low (pH 4.5-6) 5.80 10.61 -36.8 2 4 1 65 380.423 3

Activity (Go SEA)

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