UCSF

ZINC06854852

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2006 21 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) -1.89 -7.19 -21.2 5 10 0 153 362.14 2
Mid Mid (pH 6-8) -1.89 -7.18 -58.23 4 10 -1 151 361.132 2

Activity (Go SEA)

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