UCSF

ZINC20465564

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 3.69 8.99 -67.58 2 6 1 66 453.632 8
Mid Mid (pH 6-8) 3.69 8.95 -61.07 2 6 1 66 453.632 8
Mid Mid (pH 6-8) 3.69 6.61 -23.66 1 6 0 65 452.624 8

Activity (Go SEA)

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