UCSF

ZINC36338935

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 25 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) 1.90 11.64 -59.86 2 7 1 80 343.407 6
Hi High (pH 8-9.5) 2.36 7.84 -52.78 0 7 -1 82 341.391 6
Mid Mid (pH 6-8) 1.90 9.44 -12.56 1 7 0 79 342.399 6

Activity (Go SEA)

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