UCSF

ZINC00152677

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 20 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) 3.73 9.18 -31.07 1 4 1 37 267.308 2
Mid Mid (pH 6-8) 3.73 8.74 -13.9 0 4 0 36 266.3 2

Activity (Go SEA)

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