UCSF

ZINC24985905

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2009 28 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) 1.61 6.21 -42.05 4 7 1 91 382.488 3
Hi High (pH 8-9.5) 1.61 5.75 -13.63 3 7 0 90 381.48 3
Mid Mid (pH 6-8) 1.61 6.87 -54.6 4 7 1 95 382.488 3

Activity (Go SEA)

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