UCSF

ZINC37213872

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 4.43 9.96 -32.89 2 2 1 16 303.495 5
Hi High (pH 8-9.5) 4.43 8.17 -4.14 1 2 0 15 302.487 5
Mid Mid (pH 6-8) 4.43 9.32 -36.1 2 2 1 20 303.495 5
Mid Mid (pH 6-8) 4.43 11.11 -112.75 3 2 2 21 304.503 5

Activity (Go SEA)

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