UCSF

ZINC35608631

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 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) 1.40 -0.15 -14.1 3 5 0 79 239.271 4
Hi High (pH 8-9.5) 1.40 0.93 -59.99 2 5 -1 82 238.263 4

Activity (Go SEA)

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