UCSF

ZINC27715273

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2009 27 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) 2.30 3.96 -49.97 3 6 1 68 375.489 11
Hi High (pH 8-9.5) 2.30 5.8 -39.64 3 6 1 67 375.489 11
Mid Mid (pH 6-8) 2.30 6.18 -115.26 4 6 2 69 376.497 11

Activity (Go SEA)

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