UCSF

ZINC20524036

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 18 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) 2.02 6.09 -35.63 2 3 1 29 253.41 7
Mid Mid (pH 6-8) 2.02 8.21 -30.03 2 3 1 26 253.41 7
Lo Low (pH 4.5-6) 2.02 8.49 -99.3 3 3 2 30 254.418 7

Activity (Go SEA)

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