UCSF

ZINC42195033

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 20 Yes

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) 0.43 -0.24 -15.89 2 5 0 68 311.432 4
Mid Mid (pH 6-8) 0.43 2.04 -49.06 3 5 1 70 312.44 4

Activity (Go SEA)

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