UCSF

ZINC34678144

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.99 4.36 -40.73 2 6 1 63 361.441 7
Mid Mid (pH 6-8) 1.99 4.39 -45.22 2 6 1 63 361.441 7
Mid Mid (pH 6-8) 1.99 2.09 -8.99 1 6 0 62 360.433 7

Activity (Go SEA)

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