UCSF

ZINC36639395

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 22 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) 2.95 6.45 -39.3 3 5 1 68 380.291 4
Hi High (pH 8-9.5) 2.95 5.39 -11.31 2 5 0 66 379.283 4
Hi High (pH 8-9.5) 3.13 4.74 -30.5 2 5 0 74 379.283 4
Hi High (pH 8-9.5) 3.13 3.61 -48 1 5 -1 73 378.275 4

Activity (Go SEA)

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