UCSF

ZINC37233454

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 3.32 6.95 -43.27 2 3 1 29 332.295 5
Mid Mid (pH 6-8) 3.32 9.24 -37.67 2 3 1 26 332.295 5
Lo Low (pH 4.5-6) 3.32 9.5 -126.52 3 3 2 30 333.303 5

Activity (Go SEA)

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