UCSF

ZINC37267520

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 17 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) 0.95 8.01 -88.61 3 3 2 33 231.343 1
Hi High (pH 8-9.5) 0.95 8.05 -34.66 2 3 1 32 230.335 1

Activity (Go SEA)

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