UCSF

ZINC41681525

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 18 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) 1.18 7.64 -70.09 1 6 0 74 252.318 7
Hi High (pH 8-9.5) 1.18 5.18 -51.96 0 6 -1 72 251.31 7
Lo Low (pH 4.5-6) 1.18 7.75 -90.48 2 6 1 75 253.326 7

Activity (Go SEA)

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