UCSF

ZINC35765510

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 21 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) 3.12 6.51 -125.77 4 3 2 41 300.393 7
Hi High (pH 8-9.5) 3.12 6.93 -33.26 3 3 1 40 299.385 7
Mid Mid (pH 6-8) 3.12 4.99 -48.91 3 3 1 40 299.385 7

Activity (Go SEA)

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