UCSF

ZINC37814771

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 1.15 4.26 -44.01 3 4 1 57 243.371 8
Hi High (pH 8-9.5) 1.15 3.93 -7.22 2 4 0 56 242.363 8

Activity (Go SEA)

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