UCSF

ZINC36906754

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 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) 1.12 4.41 -96.18 4 3 2 35 255.431 4
Hi High (pH 8-9.5) 1.12 1.99 -3.07 2 3 0 32 253.415 4
Mid Mid (pH 6-8) 1.12 2.14 -43.8 3 3 1 34 254.423 4

Activity (Go SEA)

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