UCSF

ZINC34983680

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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) -0.80 3.43 -77.48 5 7 1 111 375.445 3
Hi High (pH 8-9.5) -0.80 0.57 -46.82 3 7 -1 105 373.429 3
Hi High (pH 8-9.5) -0.80 1.14 -31.35 4 7 0 110 374.437 3
Hi High (pH 8-9.5) -0.80 2.81 -76.19 4 7 0 106 374.437 3

Activity (Go SEA)

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