UCSF

ZINC70038441

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2011 24 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) 1.54 7.07 -98.01 4 6 2 67 344.544 13
Hi High (pH 8-9.5) 1.54 2.52 -13.12 2 6 0 65 342.528 13
Hi High (pH 8-9.5) 1.54 4.72 -37.81 3 6 1 66 343.536 13

Activity (Go SEA)

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