UCSF

ZINC24152633

Substance Information

In ZINC since Heavy atoms Benign functionality
January 14th, 2009 21 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) 2.75 5.47 -7.93 1 4 0 45 305.378 2
Hi High (pH 8-9.5) 2.81 4.66 -43 0 4 -1 52 304.37 2
Mid Mid (pH 6-8) 2.75 8.21 -46.7 2 4 1 46 306.386 2

Activity (Go SEA)

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