UCSF

ZINC36828995

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 16 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) 0.97 1.41 -13.41 1 5 0 70 244.316 4
Hi High (pH 8-9.5) 1.42 -0.67 -46.13 0 5 -1 73 243.308 4

Activity (Go SEA)

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