UCSF

ZINC37037883

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 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) -0.89 1.5 -89.72 5 5 2 64 256.394 6
Hi High (pH 8-9.5) -0.89 -1.12 -7.42 3 5 0 62 254.378 6
Mid Mid (pH 6-8) -0.89 1.14 -35.99 4 5 1 63 255.386 6
Mid Mid (pH 6-8) -0.89 1.52 -108.11 5 5 2 64 256.394 6
Mid Mid (pH 6-8) -0.89 -0.74 -48.09 4 5 1 63 255.386 6

Activity (Go SEA)

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