UCSF

ZINC36132480

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 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) 0.32 4.35 -59.69 2 6 -1 104 271.337 7
Lo Low (pH 4.5-6) 0.32 2.55 -14.49 3 6 0 101 272.345 7

Activity (Go SEA)

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