UCSF

ZINC34681537

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 31 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) 3.64 9.17 -13.64 1 6 0 58 420.488 6
Mid Mid (pH 6-8) 3.64 11.4 -44 2 6 1 59 421.496 6

Activity (Go SEA)

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