UCSF

ZINC19808444

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 32 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) 3.69 12.88 -16.43 1 5 0 59 436.527 8
Mid Mid (pH 6-8) 3.69 14.17 -53.93 2 5 1 63 437.535 8

Activity (Go SEA)

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