UCSF

ZINC37013457

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 16 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) -0.19 3.28 -55.09 4 5 1 75 217.252 3
Hi High (pH 8-9.5) -0.19 2.89 -12.11 3 5 0 73 216.244 3
Mid Mid (pH 6-8) -0.19 3.8 -91.23 5 5 2 76 218.26 3

Activity (Go SEA)

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