UCSF

ZINC37052553

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 1.59 3.58 -46.18 3 7 1 111 304.323 3
Mid Mid (pH 6-8) 1.59 3.3 -10.03 2 7 0 109 303.315 3

Activity (Go SEA)

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