UCSF

ZINC70189653

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2011 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) 2.23 7.02 -86.97 3 3 2 30 242.407 5
Hi High (pH 8-9.5) 2.23 4.71 -38.75 2 3 1 29 241.399 5

Activity (Go SEA)

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