UCSF

ZINC37172764

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 16 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) 3.19 5.23 -45.73 3 2 1 31 306.293 6
Hi High (pH 8-9.5) 3.19 4.92 -1.34 2 2 0 29 305.285 6
Lo Low (pH 4.5-6) 3.19 6.95 -121.84 4 2 2 32 307.301 6

Activity (Go SEA)

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