UCSF

ZINC34678222

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 24 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) 2.12 4.21 -41.39 2 6 1 63 335.472 8
Hi High (pH 8-9.5) 2.12 1.94 -6.49 1 6 0 62 334.464 8
Mid Mid (pH 6-8) 2.12 4.24 -42.84 2 6 1 63 335.472 8

Activity (Go SEA)

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