UCSF

ZINC37268034

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 17 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 0.83 -50.03 4 6 1 83 243.331 3
Hi High (pH 8-9.5) -0.97 -0.29 -14.46 3 6 0 79 242.323 3

Activity (Go SEA)

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