UCSF

ZINC30530888

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2009 27 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) 1.20 3.98 -19.89 2 7 0 96 385.445 4
Mid Mid (pH 6-8) 1.20 4.05 -51.24 1 7 -1 98 384.437 4

Activity (Go SEA)

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