UCSF

ZINC20785936

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 32 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) 2.61 6.99 -16.42 1 7 0 73 435.572 5
Mid Mid (pH 6-8) 2.61 7.28 -39 2 7 1 74 436.58 5
Lo Low (pH 4.5-6) 2.61 9.6 -86.5 3 7 2 75 437.588 5

Activity (Go SEA)

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