UCSF

ZINC10691401

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2007 22 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) 1.51 10.04 -91.42 2 4 2 29 303.45 3
Hi High (pH 8-9.5) 1.51 5.45 -7.75 0 4 0 27 301.434 3
Mid Mid (pH 6-8) 1.51 7.69 -44.76 1 4 1 28 302.442 3

Activity (Go SEA)

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