UCSF

ZINC36786912

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 1.47 4.12 -27.09 3 3 1 34 242.431 5
Hi High (pH 8-9.5) 1.47 4.75 -33.56 3 3 1 34 242.431 5
Lo Low (pH 4.5-6) 1.47 3.78 -116.9 4 3 2 35 243.439 5

Activity (Go SEA)

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