UCSF

ZINC34628784

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 29 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) 5.81 8.32 -52.05 1 6 -1 86 437.551 5
Mid Mid (pH 6-8) 6.74 8.55 -18.01 2 6 0 87 438.559 4

Activity (Go SEA)

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