UCSF

ZINC36992641

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 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) 3.43 8.34 -32.18 2 2 1 16 267.462 6
Mid Mid (pH 6-8) 3.43 7.12 -33.37 2 2 1 20 267.462 6
Lo Low (pH 4.5-6) 3.43 9.34 -97.38 3 2 2 21 268.47 6

Activity (Go SEA)

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