UCSF

ZINC36777373

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 21 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) 0.12 4.78 -41.12 3 4 1 53 286.399 7
Hi High (pH 8-9.5) 0.12 4.11 -6.64 2 4 0 51 285.391 7
Mid Mid (pH 6-8) 0.12 5.52 -102.4 4 4 2 54 287.407 7
Lo Low (pH 4.5-6) 0.12 6.78 -127.93 4 4 2 54 287.407 7

Activity (Go SEA)

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