UCSF

ZINC00134256

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 19 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) 2.64 5.45 -41.76 1 3 -1 56 254.24 1
Mid Mid (pH 6-8) 3.94 -2.13 -10.76 2 3 0 53 255.248 1

Activity (Go SEA)

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