UCSF

ZINC24987154

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2009 33 No

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) 2.26 8.34 -43.39 4 8 1 101 493.053 8
Hi High (pH 8-9.5) 2.26 7.86 -15.51 3 8 0 99 492.045 8
Mid Mid (pH 6-8) 2.26 9.07 -55.87 4 8 1 104 493.053 8

Activity (Go SEA)

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