UCSF

ZINC01167689

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2004 30 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) 4.34 -5.42 -14.12 2 6 0 92 456.467 7
Hi High (pH 8-9.5) 4.34 -4.26 -91.48 0 6 -2 96 454.451 7
Hi High (pH 8-9.5) 4.34 -4.84 -43.97 1 6 -1 94 455.459 7
Hi High (pH 8-9.5) 4.34 -4.84 -40.99 1 6 -1 94 455.459 7

Activity (Go SEA)

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