UCSF

ZINC00061353

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 23 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) 3.62 7.04 -33.52 4 4 1 69 326.445 3
Mid Mid (pH 6-8) 3.62 6.64 -9.95 3 4 0 68 325.437 3

Activity (Go SEA)

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