UCSF

ZINC60250212

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 35 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) 3.07 9.7 -49.81 2 10 1 114 505.665 12
Hi High (pH 8-9.5) 3.53 5.81 -59.25 0 10 -1 116 503.649 12
Mid Mid (pH 6-8) 3.53 7.91 -59.19 1 10 0 117 504.657 12

Activity (Go SEA)

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