UCSF

ZINC45702178

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 21 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) 2.17 5.6 -51.01 3 5 1 72 361.256 10
Mid Mid (pH 6-8) 2.17 4.19 -9.73 2 5 0 68 360.248 10

Activity (Go SEA)

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