UCSF

ZINC48992667

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2010 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) 1.74 8.23 -127.08 4 3 2 41 290.451 6
Hi High (pH 8-9.5) 1.74 6.59 -40.62 3 3 1 40 289.443 6
Mid Mid (pH 6-8) 1.74 7.91 -36.11 3 3 1 40 289.443 6

Activity (Go SEA)

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