UCSF

ZINC37015188

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 No

Download: MOL2 SDF SMILES Flexibase

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) 3.12 6.18 -41.71 3 3 1 46 265.402 4
Mid Mid (pH 6-8) 3.12 4.81 -7.04 2 3 0 41 264.394 4

Activity (Go SEA)

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