UCSF

ZINC51783044

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2010 11 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) -1.02 -0.23 -107.98 5 4 2 64 159.233 3
Hi High (pH 8-9.5) -1.02 -4.16 -7.56 3 4 0 58 157.217 3
Mid Mid (pH 6-8) -1.02 -2.46 -42.11 4 4 1 63 158.225 3

Activity (Go SEA)

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