UCSF

ZINC36192459

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 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) 2.51 6.63 -34.96 2 3 1 20 274.432 3
Lo Low (pH 4.5-6) 2.51 9.26 -98.21 3 3 2 21 275.44 3

Activity (Go SEA)

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