UCSF

ZINC36880634

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 19 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) 2.70 4.62 -46.08 4 4 1 66 263.361 4
Hi High (pH 8-9.5) 2.70 5.63 -79.61 3 4 0 69 262.353 4

Activity (Go SEA)

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