UCSF

ZINC00178622

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 22 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) 3.24 8.03 -8.58 0 4 0 41 316.426 3
Mid Mid (pH 6-8) 3.24 7.93 -39.19 1 4 1 42 317.434 3

Activity (Go SEA)

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