UCSF

ZINC21527965

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 32 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) 3.97 12.24 -43.28 2 5 1 42 437.583 9
Hi High (pH 8-9.5) 3.97 9.93 -12.82 1 5 0 41 436.575 9
Mid Mid (pH 6-8) 3.97 12.25 -45.52 2 5 1 42 437.583 9

Activity (Go SEA)

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