UCSF

ZINC37292651

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 21 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) 4.99 10 -36.09 2 2 1 16 348.725 3
Mid Mid (pH 6-8) 4.99 8.66 -42.88 2 2 1 20 348.725 3
Lo Low (pH 4.5-6) 4.99 10.91 -119.75 3 2 2 21 349.733 3

Activity (Go SEA)

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