UCSF

ZINC15977064

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2008 32 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 4.18 6.87 -14.47 2 6 0 85 464.465 8
Hi High (pH 8-9.5) 4.18 6.93 -47.52 1 6 -1 87 463.457 8

Activity (Go SEA)

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