UCSF

ZINC22171321

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 22 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) 4.16 10.09 -36.77 1 3 1 17 305.486 7
Hi High (pH 8-9.5) 4.16 7.76 -4.34 0 3 0 16 304.478 7
Mid Mid (pH 6-8) 4.16 10.23 -35.52 1 3 1 17 305.486 7

Activity (Go SEA)

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