UCSF

ZINC37141053

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 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) 3.99 8.96 -41.27 2 2 1 20 305.873 4
Mid Mid (pH 6-8) 3.99 10.07 -32 2 2 1 16 305.873 4
Lo Low (pH 4.5-6) 3.99 11.17 -107.41 3 2 2 21 306.881 4

Activity (Go SEA)

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