UCSF

ZINC70635727

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2011 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) 0.55 2.46 -40.41 3 3 1 40 211.329 4
Hi High (pH 8-9.5) 0.55 2.17 -1.83 2 3 0 38 210.321 4
Mid Mid (pH 6-8) 0.55 3.89 -29.55 3 3 1 40 211.329 4
Lo Low (pH 4.5-6) 0.55 4.2 -113.47 4 3 2 41 212.337 4

Activity (Go SEA)

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