UCSF

ZINC36777688

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 19 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) -0.04 5.16 -49.28 3 3 1 44 256.373 6
Hi High (pH 8-9.5) -0.04 4.81 -5.73 2 3 0 42 255.365 6
Mid Mid (pH 6-8) -0.04 5.19 -95.28 4 3 2 45 257.381 6
Mid Mid (pH 6-8) -0.04 7.15 -38.73 3 3 1 43 256.373 6

Activity (Go SEA)

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