UCSF

ZINC34883443

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 27 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) 5.84 7.86 -8.01 3 3 0 61 362.469 6
Mid Mid (pH 6-8) 5.84 8.53 -41.28 2 3 -1 64 361.461 6

Activity (Go SEA)

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