UCSF

ZINC37339659

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 15 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) 0.97 5.16 -32.66 1 3 1 25 211.329 2
Hi High (pH 8-9.5) 0.97 2.95 -4.9 0 3 0 24 210.321 2
Mid Mid (pH 6-8) 0.97 5.15 -33.2 1 3 1 25 211.329 2

Activity (Go SEA)

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