UCSF

ZINC37219414

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) 4.53 11.16 -27.08 2 3 1 31 306.499 9
Hi High (pH 8-9.5) 4.53 10.43 -7.24 1 3 0 30 305.491 9
Mid Mid (pH 6-8) 4.53 10.37 -36.31 2 3 1 34 306.499 9
Mid Mid (pH 6-8) 4.53 10.99 -105.02 3 3 2 36 307.507 9

Activity (Go SEA)

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