UCSF

ZINC04155365

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 24 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) 6.02 -0.06 -6.57 1 3 0 29 384.321 3
Mid Mid (pH 6-8) 6.02 0.02 -24.61 2 3 1 30 385.329 3

Activity (Go SEA)

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