UCSF

ZINC36195734

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 17 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) 0.30 2.92 -44.74 3 5 1 62 240.327 8
Hi High (pH 8-9.5) 0.30 2.52 -7.31 2 5 0 61 239.319 8
Mid Mid (pH 6-8) 0.30 3.16 -95.48 4 5 2 63 241.335 8

Activity (Go SEA)

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