UCSF

ZINC34592600

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 27 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) 0.94 -1.28 -53.87 6 8 1 136 397.473 9
Hi High (pH 8-9.5) 0.94 -1.67 -48.87 4 8 -1 134 395.457 9
Mid Mid (pH 6-8) 0.94 -2.51 -17.15 5 8 0 131 396.465 9

Activity (Go SEA)

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