UCSF

ZINC34991935

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 20 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 7.67 -32.36 2 3 1 29 275.416 8
Mid Mid (pH 6-8) 2.95 8.08 -29.83 2 3 1 26 275.416 8
Lo Low (pH 4.5-6) 2.95 9.48 -108.82 3 3 2 30 276.424 8

Activity (Go SEA)

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