UCSF

ZINC20326740

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 2.36 4.23 -21.12 3 8 0 98 396.495 7
Mid Mid (pH 6-8) 2.36 4.61 -33.61 4 8 1 100 397.503 7
Lo Low (pH 4.5-6) 2.36 7.01 -100.91 5 8 2 101 398.511 7

Activity (Go SEA)

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