UCSF

ZINC36267850

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 16 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) -0.01 -0.18 -47.03 6 5 1 96 221.284 3
Hi High (pH 8-9.5) -0.01 -0.52 -9.43 5 5 0 94 220.276 3
Mid Mid (pH 6-8) -0.01 0.13 -98.15 7 5 2 97 222.292 3

Activity (Go SEA)

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