UCSF

ZINC36984091

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 18 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) 3.62 7.22 -32.2 3 2 1 29 251.438 4
Hi High (pH 8-9.5) 3.62 7.29 -32.35 3 2 1 29 251.438 4
Mid Mid (pH 6-8) 3.62 8.01 -97.05 4 2 2 33 252.446 4

Activity (Go SEA)

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