UCSF

ZINC70635430

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2011 14 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) 1.34 5.96 -108.25 4 2 2 32 196.338 4
Hi High (pH 8-9.5) 1.34 3.66 -42.21 3 2 1 31 195.33 4
Mid Mid (pH 6-8) 1.34 5.64 -27.01 3 2 1 30 195.33 4

Activity (Go SEA)

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