UCSF

ZINC01145578

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 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) 4.30 -7.07 -14.85 2 7 0 101 446.55 8
Hi High (pH 8-9.5) 4.30 -6.49 -42.99 1 7 -1 103 445.542 8
Hi High (pH 8-9.5) 4.30 -6.03 -95.15 0 7 -2 105 444.534 8
Hi High (pH 8-9.5) 4.30 -6.61 -45.9 1 7 -1 103 445.542 8

Activity (Go SEA)

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