UCSF

ZINC45784234

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2010 15 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) 2.28 4.93 -3.01 0 2 0 12 205.301 2
Lo Low (pH 4.5-6) 2.28 7.12 -32.43 1 2 1 14 206.309 2

Activity (Go SEA)

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