UCSF

ZINC21650894

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 29 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) 3.83 10.21 -102.62 3 6 1 74 391.495 7
Hi High (pH 8-9.5) 3.83 7.47 -52.2 1 6 -1 72 389.479 7
Mid Mid (pH 6-8) 3.83 9.78 -75.94 2 6 0 73 390.487 7
Mid Mid (pH 6-8) 3.83 7.91 -53.21 2 6 0 73 390.487 7

Activity (Go SEA)

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