UCSF

ZINC19940030

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 29 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) 2.64 8.34 -93.28 4 5 2 53 410.553 8
Mid Mid (pH 6-8) 2.64 7.2 -39.05 3 5 1 49 409.545 8
Lo Low (pH 4.5-6) 2.64 9.06 -96.58 4 5 2 50 410.553 8

Activity (Go SEA)

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