UCSF

ZINC37144246

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 21 No

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) 2.59 6.26 -44.69 3 4 1 43 308.471 7
Hi High (pH 8-9.5) 2.59 3.99 -12.61 2 4 0 42 307.463 7
Mid Mid (pH 6-8) 2.59 6.27 -48.43 3 4 1 43 308.471 7

Activity (Go SEA)

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