UCSF

ZINC36533350

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2009 18 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) 3.87 7.11 -4.66 4 2 0 52 242.366 1
Lo Low (pH 4.5-6) 3.87 6.93 -40.62 5 2 1 54 243.374 1

Activity (Go SEA)

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