UCSF

ZINC22163546

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 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) 3.29 5.33 -45.11 3 2 1 31 267.462 5
Mid Mid (pH 6-8) 3.29 7.71 -25.63 3 2 1 30 267.462 5
Lo Low (pH 4.5-6) 3.29 7.02 -127.04 4 2 2 32 268.47 5

Activity (Go SEA)

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