UCSF

ZINC42432025

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 17 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) 2.27 6.26 -30.12 3 3 1 45 244.343 2
Mid Mid (pH 6-8) 2.27 5.63 -10.17 2 3 0 44 243.335 2
Lo Low (pH 4.5-6) 2.27 5.97 -43.97 3 3 1 45 244.343 2

Activity (Go SEA)

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