UCSF

ZINC20646629

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 31 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) 3.09 7.3 -58.28 1 7 1 66 423.489 5
Hi High (pH 8-9.5) 3.09 4.38 -12.66 0 7 0 64 422.481 5
Lo Low (pH 4.5-6) 3.09 6.71 -54.62 1 7 1 66 423.489 5

Activity (Go SEA)

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