UCSF

ZINC36786379

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 15 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) 1.78 5.34 -45.24 3 3 1 44 208.329 4
Hi High (pH 8-9.5) 1.78 4.99 -4.04 2 3 0 42 207.321 4
Mid Mid (pH 6-8) 1.78 5.74 -100.83 4 3 2 45 209.337 4

Activity (Go SEA)

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