UCSF

ZINC35697707

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 17 No

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) 2.58 7.01 -8.11 1 3 0 38 268.407 1
Hi High (pH 8-9.5) 3.04 6.13 -35.41 0 3 -1 41 267.399 1

Activity (Go SEA)

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